datasets

src/beignet/datasets/__init__.py

@@ -1,35 +1,175 @@
+from ._aqsoldb_solubility_dataset import AqSolDBSolubilityDataset
+from ._astrazeneca_clearance_dataset import AstraZenecaClearanceDataset
+from ._astrazeneca_lipophilicity_dataset import AstraZenecaLipophilicityDataset
+from ._astrazeneca_plasma_protein_binding_rate_dataset import (
+    AstraZenecaPlasmaProteinBindingRateDataset,
+)
+from ._atom3d_dataset import ATOM3DDataset
+from ._atom3d_msp_dataset import ATOM3DMSPDataset
+from ._atom3d_ppi_dataset import ATOM3DPPIDataset
+from ._atom3d_psr_dataset import ATOM3DPSRDataset
+from ._atom3d_res_dataset import ATOM3DRESDataset
+from ._atom3d_rsr_dataset import ATOM3DRSRDataset
+from ._atom3d_smp_dataset import ATOM3DSMPDataset
+from ._bindingdb_dataset import BindingDBDataset
+from ._broccatelli_p_glycoprotein_inhibition_dataset import (
+    BroccatelliPGlycoproteinInhibitionDataset,
+)
+from ._carbon_mangels_cytochrome_p450_2c9_substrate_dataset import (
+    CarbonMangelsCytochromeP4502C9SubstrateDataset,
+)
+from ._carbon_mangels_cytochrome_p450_2d6_substrate_dataset import (
+    CarbonMangelsCytochromeP4502D6SubstrateDataset,
+)
+from ._carbon_mangels_cytochrome_p450_3a4_substrate_dataset import (
+    CarbonMangelsCytochromeP4503A4SubstrateDataset,
+)
+from ._chembl_dataset import ChEMBLDataset
+from ._clintox_dataset import ClinToxDataset
+from ._data_frame_dataset import DataFrameDataset
+from ._davis_dataset import DAVISDataset
+from ._disgenet_dataset import DisGeNETDataset
+from ._drugcomb_dataset import DrugCombDataset
 from ._fasta_dataset import FASTADataset
+from ._freesolv_dataset import FreeSolvDataset
+from ._gdsc1_dataset import GDSC1Dataset
+from ._gdsc2_dataset import GDSC2Dataset
 from ._hdf5_trajectory_dataset import HDF5TrajectoryDataset
+from ._hou_human_intestinal_absorption_dataset import (
+    HouHumanIntestinalAbsorptionDataset,
+)
+from ._huri_dataset import HuRIDataset
+from ._kiba_dataset import KIBADataset
+from ._lmdb_dataset import LMDBDataset
+from ._lombardo_volume_of_distribution_at_steady_state_dataset import (
+    LombardoVolumeOfDistributionAtSteadyStateDataset,
+)
+from ._ma_bioavailability_dataset import MaBioavailabilityDataset
+from ._martins_blood_brain_barrier_dataset import MartinsBloodBrainBarrierDataset
+from ._moses_dataset import MOSESDataset
+from ._ncats_pampa_permeability_dataset import NCATSPAMPAPermeabilityDataset
+from ._obach_half_life_dataset import ObachHalfLifeDataset
+from ._parquet_dataset import ParquetDataset
+from ._pdb_70_dataset import PDB70Dataset
 from ._pdb_trajectory_dataset import PDBTrajectoryDataset
+from ._pdbbind_dataset import PDBbindDataset
+from ._qm7_dataset import QM7Dataset
+from ._qm7b_dataset import QM7bDataset
+from ._qm8_dataset import QM8Dataset
+from ._qm9_dataset import QM9Dataset
 from ._random_euler_angle_dataset import RandomEulerAngleDataset
 from ._random_quaternion_dataset import RandomQuaternionDataset
+from ._random_rotation_dataset import RandomRotationDataset
 from ._random_rotation_matrix_dataset import RandomRotationMatrixDataset
 from ._random_rotation_vector_dataset import RandomRotationVectorDataset
+from ._real_database_dataset import REALDatabaseDataset
+from ._sabdab_dataset import SAbDabDataset
 from ._sequence_dataset import SequenceDataset
 from ._sized_sequence_dataset import SizedSequenceDataset
+from ._skempi_dataset import SKEMPIDataset
 from ._swissprot_dataset import SwissProtDataset
+from ._tdc_dataset import TDCDataset
+from ._tox21_dataset import Tox21Dataset
+from ._toxcast_dataset import ToxCastDataset
 from ._trajectory_dataset import TrajectoryDataset
 from ._trembl_dataset import TrEMBLDataset
 from ._uniprot_dataset import UniProtDataset
 from ._uniref50_dataset import UniRef50Dataset
 from ._uniref90_dataset import UniRef90Dataset
 from ._uniref100_dataset import UniRef100Dataset
+from ._uspto_reaction_product_dataset import USPTOReactionProductDataset
+from ._veith_cytochrome_p450_1a2_inhibition_dataset import (
+    VeithCytochromeP4501A2InhibitionDataset,
+)
+from ._veith_cytochrome_p450_2c9_inhibition_dataset import (
+    VeithCytochromeP4502C9InhibitionDataset,
+)
+from ._veith_cytochrome_p450_2c19_inhibition_dataset import (
+    VeithCytochromeP4502C19InhibitionDataset,
+)
+from ._veith_cytochrome_p450_2d6_inhibition_dataset import (
+    VeithCytochromeP4502D6InhibitionDataset,
+)
+from ._veith_cytochrome_p450_3a4_inhibition_dataset import (
+    VeithCytochromeP4503A4InhibitionDataset,
+)
+from ._wang_effective_permeability_dataset import WangEffectivePermeabilityDataset
+from ._zhu_acute_toxicity_ld50_dataset import ZhuAcuteToxicityLD50Dataset
+from ._zinc_dataset import ZINCDataset
 
 __all__ = [
+    "AqSolDBSolubilityDataset",
+    "AstraZenecaClearanceDataset",
+    "AstraZenecaLipophilicityDataset",
+    "AstraZenecaPlasmaProteinBindingRateDataset",
+    "ATOM3DDataset",
+    "ATOM3DMSPDataset",
+    "ATOM3DPPIDataset",
+    "ATOM3DPSRDataset",
+    "ATOM3DRESDataset",
+    "ATOM3DRSRDataset",
+    "ATOM3DSMPDataset",
+    "BindingDBDataset",
+    "BroccatelliPGlycoproteinInhibitionDataset",
+    "CarbonMangelsCytochromeP4502C9SubstrateDataset",
+    "CarbonMangelsCytochromeP4502D6SubstrateDataset",
+    "CarbonMangelsCytochromeP4503A4SubstrateDataset",
+    "ChEMBLDataset",
+    "ClinToxDataset",
+    "DataFrameDataset",
+    "DAVISDataset",
+    "DisGeNETDataset",
+    "DrugCombDataset",
     "FASTADataset",
+    "FreeSolvDataset",
+    "GDSC1Dataset",
+    "GDSC2Dataset",
     "HDF5TrajectoryDataset",
+    "HouHumanIntestinalAbsorptionDataset",
+    "HuRIDataset",
+    "KIBADataset",
+    "LMDBDataset",
+    "LombardoVolumeOfDistributionAtSteadyStateDataset",
+    "MaBioavailabilityDataset",
+    "MartinsBloodBrainBarrierDataset",
+    "MOSESDataset",
+    "NCATSPAMPAPermeabilityDataset",
+    "ObachHalfLifeDataset",
+    "ParquetDataset",
+    "PDB70Dataset",
     "PDBTrajectoryDataset",
+    "PDBbindDataset",
+    "QM7Dataset",
+    "QM7bDataset",
+    "QM8Dataset",
+    "QM9Dataset",
     "RandomEulerAngleDataset",
     "RandomQuaternionDataset",
+    "RandomRotationDataset",
     "RandomRotationMatrixDataset",
     "RandomRotationVectorDataset",
+    "REALDatabaseDataset",
+    "SAbDabDataset",
     "SequenceDataset",
     "SizedSequenceDataset",
+    "SKEMPIDataset",
     "SwissProtDataset",
-    "TrEMBLDataset",
+    "TDCDataset",
+    "Tox21Dataset",
+    "ToxCastDataset",
     "TrajectoryDataset",
+    "TrEMBLDataset",
     "UniProtDataset",
     "UniRef100Dataset",
     "UniRef50Dataset",
     "UniRef90Dataset",
+    "USPTOReactionProductDataset",
+    "VeithCytochromeP4501A2InhibitionDataset",
+    "VeithCytochromeP4502C19InhibitionDataset",
+    "VeithCytochromeP4502C9InhibitionDataset",
+    "VeithCytochromeP4502D6InhibitionDataset",
+    "VeithCytochromeP4503A4InhibitionDataset",
+    "WangEffectivePermeabilityDataset",
+    "ZhuAcuteToxicityLD50Dataset",
+    "ZINCDataset",
 ]